Alessandro Volpi

Alessandro Volpi
Università di Parma | UNIPR · scienze della natura e dell'ambiente

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16
Publications
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626
Citations
Citations since 2017
0 Research Items
97 Citations
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201720182019202020212022202305101520
201720182019202020212022202305101520
201720182019202020212022202305101520
Introduction
Skills and Expertise

Publications

Publications (16)
Article
Full-text available
We present a synthetic approach to the kinds of housing found in the mountainous Alta Rocca sector of southern Corsica during the late Bronze Age and Early Iron Age. Study of protohistoric non-fortified sites in Corsica is relatively new, but the numerous projects carried out in recent years reveal the structural and developmental complexity of liv...
Article
In this work, we present quantum-mechanical rate constants for the prototypical reaction F (2P3/2) + H2 (v=0,j=0,…,5) → HF (v′, j′) + H for temperatures ranging from ∼10 up to 350 K. Rate constants have been obtained by an essentially exact time-independent calculation of cross-sections on a very fine grid of collision energy, permitting accurate B...
Article
The title reaction is an important step in the synthesis of ammonia over ruthenium-based catalysts, which have recently received increasing attention. The study presented here is fully theoretical and uses a reduced dimensionality approach to the surface reaction. A potential energy surface is first obtained by density functional calculations using...
Article
We have calculated cross sections for vibrational quenching in collisions of 17 O 2 (X 3 g) with 3 He at cold and ultracold temperatures, explicitly accounting for the electronic spin degree of freedom. The observed population of the final spin-rotational levels can be interpreted on the basis of useful ''propensity rules'' governing the intensity...
Article
Accurate quantum mechanical rate constants (all contributing partial waves, fine energy grid Boltzmann averaging) for the title reaction are obtained by the hyperquantization algorithm, covering the range from above room temperature down to the cold regime (few K). The good agreement with available experiments down to $200 K, obtained by blending a...
Article
Full-text available
Cold collisions of ground state oxygen molecules with Helium have been investigated in a wide range of cold collision energies (from 1 $\mu$K up to 10 K) treating the oxygen molecule first as a rigid rotor and then introducing the vibrational degree of freedom. The comparison between the two models shows that at low energies the rigid rotor approxi...
Article
Full-text available
We present in this article a numerical investigation of the dynamics of the prototypical exchange reaction F+H2→HF+H applying an exact quantum mechanical method, the hyperquantization algorithm, which exploits discrete analogs of hyperspherical harmonics and whose accuracy is tested for both differential and integral cross sections. The calculation...
Article
Full-text available
We investigate the collisional stability of magnetically trapped ultracold molecules, taking into account the influence of magnetic fields. We compute elastic and spin-state-changing inelastic rate constants for collisions of the prototype molecule $^{17}$O$_2$ with a $^3$He buffer gas as a function of the magnetic field and the translational colli...
Article
The methodology of the hyperspherical coordinate approach to triatomic reactions is presented, special emphasis being given to the extension of the hyperquantization algorithm in the symmetric parametrization to the general case of nonzero total angular momentum. The discrete analogs of hyperspherical harmonics, i.e. functions orthonormal on a latt...
Article
An electronically nonadiabatic quantum mechanical approach to the atom–molecule reactive scattering is presented. The hyperquantization algorithm, developed by us to treat electronically adiabatic reactions, has been extended in order to consider the role of excited electronic states. Couplings of all the nuclear and electronic angular momenta of t...
Article
In this paper we have investigated the interaction potential and the charge transfer processes at low collision energies in the (Ar–N2)+ system. The angular dependence of the lowest doublet potential energy surfaces (PES), correlating with Ar+(2Pj)–N2 and Ar–N2+(2Σ,2Π), has been given in terms of spherical harmonics, while the dependence on the int...
Article
The intermediate and long-range behavior of the three lowest doublet potential energy surfaces for the F(2Pj)-H2 and Cl(2Pj)-H2 systems has been studied, using a harmonic expansion of the potential, where the dependence on the relative orientation of the half-filled orbital of the open-shell atom and the molecular axis has been given in terms of bi...
Article
Frame transformation theory and the classification of rotational spectra of diatomic molecules according to the five Hund cases provide a guide to the quantum-mechanical formulation of alternative coupling schemes for the treatment of atomic collisions between species carrying spin and electronic angular momenta. An account of the corresponding dia...
Article
This work reports on the performances of the hyperquantization algorithm in the symmetric hyperspherical coordinate representation for the F + H(2) reaction. The use of alternative sequential diagonalization schemes has greatly reduced the computing time and memory requirements, making the technique very efficient and competitive for applications t...
Article
This work focuses on numerical aspects and performances of the hyperquantization algorithm, presented in the preceding paper, for a prototypical atom–diatom reaction. Here we provide also the extensions which allow the treatment of excited electronic surfaces. Test calculations have been carried out on the reaction F+H2 at a total nuclear angular m...

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